N-(2-chloro-6-methylphenyl)-2-[(3-chloropyrazin-2-yl)amino]-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[3-(methylamino)pyrazin-2-yl]amino]-1,3-thiazole-5-carboxamide

C39H34Cl3N11O3S2 — CID 159374708

IUPACN-(2-chloro-6-methylphenyl)-2-[(3-chloropyrazin-2-yl)amino]-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[3-(methylamino)pyrazin-2-yl]amino]-1,3-thiazole-5-carboxamide
SMILESCNc1nccnc1Nc1ncc(C(=O)Nc2c(C)cccc2Cl)s1.COc1ccc(CN(C(=O)c2cnc(Nc3nccnc3Cl)s2)c2c(C)cccc2Cl)cc1
InChIInChI=1S/C23H19Cl2N5O2S.C16H15ClN6OS/c1-14-4-3-5-17(24)19(14)30(13-15-6-8-16(32-2)9-7-15)22(31)18-12-28-23(33-18)29-21-20(25)26-10-11-27-21;1-9-4-3-5-10(17)12(9)22-15(24)11-8-21-16(25-11)23-14-13(18-2)19-6-7-20-14/h3-12H,13H2,1-2H3,(H,27,28,29);3-8H,1-2H3,(H,18,19)(H,22,24)(H,20,21,23)
InChIKeyLKDYIOLBCWSOPS-UHFFFAOYSA-N
MW875.27 g/mol
LogP10.08
Rot. Bonds12

About N-(2-chloro-6-methylphenyl)-2-[(3-chloropyrazin-2-yl)amino]-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[3-(methylamino)pyrazin-2-yl]amino]-1,3-thiazole-5-carboxamide

N-(2-chloro-6-methylphenyl)-2-[(3-chloropyrazin-2-yl)amino]-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[3-(methylamino)pyrazin-2-yl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 159374708) has the molecular formula C39H34Cl3N11O3S2 and a molecular weight of 875.27 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[(3-chloropyrazin-2-yl)amino]-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[3-(methylamino)pyrazin-2-yl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-[(3-chloropyrazin-2-yl)amino]-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[3-(methylamino)pyrazin-2-yl]amino]-1,3-thiazole-5-carboxamide
PubChem CID159374708
Molecular FormulaC39H34Cl3N11O3S2
Molecular Weight875.27 g/mol
Exact Mass873.14
IUPAC NameN-(2-chloro-6-methylphenyl)-2-[(3-chloropyrazin-2-yl)amino]-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[3-(methylamino)pyrazin-2-yl]amino]-1,3-thiazole-5-carboxamide
SMILESCNc1nccnc1Nc1ncc(C(=O)Nc2c(C)cccc2Cl)s1.COc1ccc(CN(C(=O)c2cnc(Nc3nccnc3Cl)s2)c2c(C)cccc2Cl)cc1
InChIInChI=1S/C23H19Cl2N5O2S.C16H15ClN6OS/c1-14-4-3-5-17(24)19(14)30(13-15-6-8-16(32-2)9-7-15)22(31)18-12-28-23(33-18)29-21-20(25)26-10-11-27-21;1-9-4-3-5-10(17)12(9)22-15(24)11-8-21-16(25-11)23-14-13(18-2)19-6-7-20-14/h3-12H,13H2,1-2H3,(H,27,28,29);3-8H,1-2H3,(H,18,19)(H,22,24)(H,20,21,23)
InChIKeyLKDYIOLBCWSOPS-UHFFFAOYSA-N
XLogP10.08
TPSA172.07 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500875.27
LogP ≤ 510.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze N-(2-chloro-6-methylphenyl)-2-[(3-chloropyrazin-2-yl)amino]-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[3-(methylamino)pyrazin-2-yl]amino]-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[(3-chloropyrazin-2-yl)amino]-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[3-(methylamino)pyrazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[(3-chloropyrazin-2-yl)amino]-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[3-(methylamino)pyrazin-2-yl]amino]-1,3-thiazole-5-carboxamide (CID 159374708) is N-(2-chloro-6-methylphenyl)-2-[(3-chloropyrazin-2-yl)amino]-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[3-(methylamino)pyrazin-2-yl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[(3-chloropyrazin-2-yl)amino]-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[3-(methylamino)pyrazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[(3-chloropyrazin-2-yl)amino]-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[3-(methylamino)pyrazin-2-yl]amino]-1,3-thiazole-5-carboxamide is CNc1nccnc1Nc1ncc(C(=O)Nc2c(C)cccc2Cl)s1.COc1ccc(CN(C(=O)c2cnc(Nc3nccnc3Cl)s2)c2c(C)cccc2Cl)cc1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[(3-chloropyrazin-2-yl)amino]-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[3-(methylamino)pyrazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is LKDYIOLBCWSOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N5O2S.C16H15ClN6OS/c1-14-4-3-5-17(24)19(14)30(13-15-6-8-16(32-2)9-7-15)22(31)18-12-28-23(33-18)29-21-20(25)26-10-11-27-21;1-9-4-3-5-10(17)12(9)22-15(24)11-8-21-16(25-11)23-14-13(18-2)19-6-7-20-14/h3-12H,13H2,1-2H3,(H,27,28,29);3-8H,1-2H3,(H,18,19)(H,22,24)(H,20,21,23).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-[(3-chloropyrazin-2-yl)amino]-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[3-(methylamino)pyrazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
N-(2-chloro-6-methylphenyl)-2-[(3-chloropyrazin-2-yl)amino]-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[3-(methylamino)pyrazin-2-yl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 875.27 g/mol, XLogP of 10.08, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-[(3-chloropyrazin-2-yl)amino]-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[3-(methylamino)pyrazin-2-yl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 159374708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).